(2S)-3-methyl-2-[(2-propan-2-ylquinazolin-4-yl)azaniumyl]butanoate

Systemtic Name: (2S)-3-methyl-2-[(2-propan-2-ylquinazolin-4-yl)azaniumyl]butanoate Openeye Name: (2S)-2-[(2-isopropylquinazolin-4-yl)ammonio]-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-[(2-propan-2-yl-4-quinazolinyl)ammonio]butanoate IUPAC Name: (2S)-3-methyl-2-[(2-propan-2-ylquinazolin-4-yl)azaniumyl]butanoate Traditional Name: (2S)-2-[(2-isopropylquinazolin-4-yl)ammonio]-3-methyl-butyrate Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=N1)[NH2+]C(C(C)C)C(=O)[O-]

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=N1)[NH2+][C@@H](C(C)C)C(=O)[O-]

InChI

InChI=1S/C16H21N3O2/c1-9(2)13(16(20)21)18-15-11-7-5-6-8-12(11)17-14(19-15)10(3)4/h5-10,13H,1-4H3,(H,20,21)(H,17,18,19)/t13-/m0/s1